Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3fd76e8c53172ef46c6954a8dc73d2c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.173,
"b": 71.492,
"c": 72.214,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.48000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.680,2.680],
"number_observations": 115065,
"number_observations_unique": 9318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.680],
"number_observations": 14140,
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.093
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [46.680,8.900],
"number_observations": 3335,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}